4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-cycloheptyl-4-oxidanylidene-butanamide

Systemtic Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-cycloheptyl-4-oxidanylidene-butanamide Openeye Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-cycloheptyl-4-oxo-butanamide CAS Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-N-cycloheptyl-4-oxobutanamide IUPAC Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-cycloheptyl-4-oxobutanamide Traditional Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-N-cycloheptyl-4-keto-butyramide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CCC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCC(CC1)NC(=O)CCC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H29N3O2S/c26-20(23-16-8-3-1-2-4-9-16)13-14-21(27)25-15-7-11-18(25)22-24-17-10-5-6-12-19(17)28-22/h5-6,10,12,16,18H,1-4,7-9,11,13-15H2,(H,23,26)/t18-/m0/s1